SCHEMBL118748

SCHEMBL118748

[c]1cnnc2c1CCCc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPY5R Q15761 4/20 0.39
CYP19A1 P11511 5/20 0.39
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
BCHE P06276 1/20 0.38
TSHR P16473 1/20 0.38
NOS3 P29474 1/20 0.37
MAPT P10636 1/20 0.36
MIF P14174 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23270248 0.74 CYP2A6 (0.41) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL23143476 0.73 DRD4 (0.47) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL4993286 0.71 KDM4E (0.41) MAOAMAOBTSHRMAPT
SCHEMBL467654 0.68 DRD4 (0.43) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL3103992 0.67 CYP2A6 (0.68) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL30505637 0.67 CYP2A6 (0.68) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL10471250 0.67 CYP2A6 (0.47) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL118747 0.67 DRD4 (0.45) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL30436320 0.65 CYP2A6 (0.65) DRD4CYP2A6MAOAMAOBNPY5R
SCHEMBL9652088 0.65 CYP2A6 (0.65) DRD4CYP2A6MAOAMAOBNPY5R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2074 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050970-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-02-23 US claimed
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
WO-2024151489-A1 PHARMACEUTICAL PYRIDYL COMPOSITIONS AND METHODS FOR USE Unicycive Therapeutics Inc. (US) 2024-07-18 WO disclosed
WO-2024151847-A1 IDENTIFICATION OF OTUD7B INHIBITOR 7BI AND ITS APPLICATION IN REDUCING GROWTH OF NSCLC AND LEUKEMIA CELLS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-07-18 WO disclosed
US-12036211-B2 Nicorandil derivatives Unicycive Therapeutics Inc. (US) 2024-07-16 US disclosed
US-12036078-B2 Oral products and methods for producing the same PolySpectra, Inc. (US) 2024-07-16 US disclosed
WO-2024148191-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
WO-2008089484-A1 MULTI-PHASE SELECTIVE MASS TRANSFER THROUGH A MEMBRANE DAIS ANALYTIC CORPORATION (US) 2008-07-24 WO disclosed
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-24 US disclosed
WO-2008083357-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008083367-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008083353-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008083354-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
WO-2008080134-A2 4-AMIN0-2- (HETERO) ARYLAMINO-5- (HETERO) ARYLTHIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
WO-2008045978-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-04-17 WO disclosed
WO-2008039779-A2 ENHANCED HVAC SYSTEM AND METHOD DAIS ANALYTIC CORPORATION (US) 2008-04-03 WO disclosed